1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

C16H22FN3O2 — CID 8531156

IUPAC1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-12(2-4-14)5-8-19-15(21)11-20-9-6-13(7-10-20)16(18)22/h1-4,13H,5-11H2,(H2,18,22)(H,19,21)
InChIKeyCNTUNOUSSDFZAX-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.68
Rot. Bonds6

About 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8531156) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8531156
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-12(2-4-14)5-8-19-15(21)11-20-9-6-13(7-10-20)16(18)22/h1-4,13H,5-11H2,(H2,18,22)(H,19,21)
InChIKeyCNTUNOUSSDFZAX-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 136527123
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-oxo-1H-pyridin-4-yl)piperidin-1-yl]acetamide
CID 138384759
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 78897317
1-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 16909292
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 91838315
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477
N-[2-(4-fluorophenyl)ethyl]-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137334203

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 8531156) is 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is CNTUNOUSSDFZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-3-1-12(2-4-14)5-8-19-15(21)11-20-9-6-13(7-10-20)16(18)22/h1-4,13H,5-11H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8531156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).